Name | 3-Nitrobenzotrifluoride |
Synonyms | Nitrobenzotrifluoride 3-Nitrobenzotrifluoride m-Nitrotrifluorotoluene m-nitrotrifluorotoluene M-NITROBENZOTRIFLUORIDE 1,3-Nitrobenzotrifluoride m-Trifluoromethylnitrobenzene m-nitrotrifluoromethylbenzene M-NITRO-A,A,A-TRIFLUOROTOLUENE M-(TRIFLUOROMETHYL)NITROBENZENE 1-trifluoromethyl-3-nitrobenzene 1-Nitro-3-(trifluoromethyl)benzene 1-nitro-3-(trifluoromethyl)-benzen 3-Nitro-alpha,alpha,alpha-trifluorotoluene alpha,alpha,alpha-Trifluoro-3-nitrotoluene 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
CAS | 98-46-4 |
EINECS | 202-670-1 |
InChI | InChI=1/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19) |
InChIKey | WHNAMGUAXHGCHH-UHFFFAOYSA-N |
Molecular Formula | C7H4F3NO2 |
Molar Mass | 191.11 |
Density | 1.436g/mLat 25°C(lit.) |
Melting Point | -5 °C |
Boling Point | 200-205°C(lit.) |
Flash Point | 190°F |
Water Solubility | 0.4 g/L (20 ºC) |
Vapor Presure | 7.05E-07mmHg at 25°C |
Appearance | clear liquid |
Color | Colorless to Yellow to Green |
Exposure Limit | ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3 |
BRN | 2051362 |
Refractive Index | n20/D 1.472(lit.) |
Physical and Chemical Properties | This product is colorless liquid, B. p.200 ~ 205 ℃,n20D 1.4720, relative density 1.436,f.p.87 ℃, soluble in ethanol, ether, benzene, toluene and other solvents. |
Use | Used as pharmaceutical, pesticide, dye intermediates |
Risk Codes | R22 - Harmful if swallowed R26 - Very Toxic by inhalation R36/37/38 - Irritating to eyes, respiratory system and skin. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R21/22 - Harmful in contact with skin and if swallowed. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S28A - |
UN IDs | UN 2306 6.1/PG 2 |
WGK Germany | 2 |
RTECS | XT3500000 |
TSCA | Yes |
HS Code | 29049090 |
Hazard Note | Highly Toxic/Irritant |
Hazard Class | 6.1 |
Packing Group | II |
colorless transparent liquid. The relative density was 1. 4357. Melting Point -2.4 °c. Boiling point 202.8 C, 105 C (4kPa). Refractive index 1.4719. Soluble in ethanol, ether, insoluble in water.
prepared by Nitration with toluene trifluoride.
It is used in medicine for the synthesis of benzfluorothiazide and the like.